Theories and simulations of polymer-based nanocomposites: From chain statistics to reinforcement
A survey of the present understanding of particle-filled polymers is presented, as obtained
from either theoretical or computational approaches. We concentrate on composites in …
from either theoretical or computational approaches. We concentrate on composites in …
Molecular simulations of interfacial systems: challenges, applications and future perspectives
We present a comprehensive review of methods and applications of molecular simulations
of interfacial systems. We give a detailed overview of the main techniques and major …
of interfacial systems. We give a detailed overview of the main techniques and major …
Untangling the effects of chain rigidity on the structure and dynamics of strongly adsorbed polymer melts
We present a detailed analysis of coarse-grained molecular dynamics simulations of
semiflexible polymer melts in contact with a strongly adsorbing substrate. We have …
semiflexible polymer melts in contact with a strongly adsorbing substrate. We have …
The role of the molecular weight of the adsorbed layer on a substrate in the suppressed dynamics of supported thin polystyrene films
W Ren, X Wang, J Shi, J Xu, H Taneda, NL Yamada… - Soft Matter, 2022 - pubs.rsc.org
The adsorbed layer on a solid surface plays a crucial role in the dynamics of
nanoconfinement polymer materials. However, the influence of the adsorbed layer is …
nanoconfinement polymer materials. However, the influence of the adsorbed layer is …
Morphology of multi-component polymer systems: single chain in mean field simulation studies
Recent work exploring phase separation and self-assembly in multicomponent polymer
fluids using a particle-based self-consistent field simulation method is reviewed. The …
fluids using a particle-based self-consistent field simulation method is reviewed. The …
Crystallization of alkane melts induced by carbon nanotubes and graphene nanosheets: a molecular dynamics simulation study
JS Yang, CL Yang, MS Wang, BD Chen… - Physical Chemistry …, 2011 - pubs.rsc.org
The crystallization of alkane melts on carbon nanotubes (CNT) and the surface of graphene
nanosheets (GNS) is investigated using molecular dynamics (MD) simulations. The …
nanosheets (GNS) is investigated using molecular dynamics (MD) simulations. The …
Hierarchical simulations of hybrid polymer–solid materials
Complex polymer–solid materials have gained a lot of attention during the last 2–3 decades
due to the fundamental physical problems and the broad spectrum of technological …
due to the fundamental physical problems and the broad spectrum of technological …
Detailed atomistic Monte Carlo simulations of a polymer melt on a solid surface and around a nanoparticle
The molecular factors that govern interfacial interactions between a polymer melt and a solid
surface remain largely unclear despite significant progress made in the last years …
surface remain largely unclear despite significant progress made in the last years …
Development of Comprehensive Two-Dimensional High Temperature Liquid Chromatography× Gel Permeation Chromatography for Characterization of Polyolefins.
This work documents the development of the title system wherein the first dimension is a
separation of polyolefins, according to composition, via an adsorption mechanism on a …
separation of polyolefins, according to composition, via an adsorption mechanism on a …
Addressing Nanocomposite Systems via 3D-SCFT: Assessment of Smearing Approximation and Irregular Grafting Distributions
We develop a three-dimensional self-consistent field-theoretic approach (3D-SCFT) for
polymer matrix nanocomposites of arbitrary geometries, eg, polymer-grafted nanoparticles …
polymer matrix nanocomposites of arbitrary geometries, eg, polymer-grafted nanoparticles …